potassium tris(butan-2-yl)boranuide

• ChemBase ID: 150530
• Molecular Formular: C12H27BK
• Molecular Mass: 221.25208
• Monoisotopic Mass: 221.18428794
• SMILES: [B-](C(C)CC)(C(C)CC)C(C)CC.[K+]
• Canonical SMILES: CCC([B-](C(CC)C)C(CC)C)C.[K+]
• InChI: InChI=1S/C12H28B.K/c1-7-10(4)13(11(5)8-2)12(6)9-3;/h10-13H,7-9H2,1-6H3;/q-1;+1
• InChIKey: NHEDTYWJTOUTDG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: potassium tris(butan-2-yl)boranuide
• IUPAC Traditional name: potassium tris(sec-butyl)boranuide
• Synonyms: Potassium tri-sec-butylborohydride solution; K-Selectride® solution; Potassium tri-sec-butylborohydride solution; 三仲丁基硼氢化钾 溶液; K-Selectride® 溶液; 三仲丁基硼氢化钾 溶液

Database IDs

• CAS Number: 54575-49-4
• MDL Number: MFCD00009324
• Beilstein Number: 4156827
• PubChem SID: 24881930; 24853191; 162244691
• PubChem CID: 23712865

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.0151
• LogD (pH = 7.4): 4.0151
• Log P: 4.0151
• Molar Refractivity: 57.6617 cm^3
• Polarizability: 25.317432 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Flash Point: 1.4 °F; -17 °C
• Density: 0.89 g/mL at 20 °C; 0.913 g/mL at 25 °C

Safety Information

• European Hazard Symbols: Corrosive (C); Flammable (F)
• UN Number: 3399
• German water hazard class: 3
• Hazard Class: 4.3
• Packing Group: 1
• Risk Statements: 11-14/15-19-34-37
• Safety Statements: 16-26-36/37/39-43-45
• GHS Pictograms: GHS02; GHS05; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H225-H260-H314-H335
• GHS Precautionary statements: P210-P223-P231 + P232-P261-P370 + P378-P422
• Personal Protective Equipment: Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 3399 4.3/PG 1
• Supplemental Hazard Statements: May form explosive peroxides., Reacts violently with water.

Product Information

• Concentration: 1 M in THF; 1.0 M potassium tri-sec-butylborohydride in THF
• Grade: purum
• Linear Formula: K[CH(CH3)CH2CH3]3BH

DETAILS

Sigma Aldrich - 220760

Packaging
100, 800 mL in Sure/Seal™
Application

• Reducing reagent1Reactant for:
• Preparation of a PCP-pincer palladium hydride-K-Selectride complex2
• Formation of P-H, P-C, and C-H bonds by hydride attack3
• Stereoselective conjugate hydride reduction reactions4
Stereoselective reducing agent for ketones. Hydride employed in regioselective reactions with transition metal ligands.
Legal Information
Selectride is a registered trademark of Sigma-Aldrich Co. LLC